N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide

C16H20N2OS — CID 78800736

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-12-5-10-15(20-12)16(19)18(4)11-13-6-8-14(9-7-13)17(2)3/h5-10H,11H2,1-4H3
InChIKeyDFFGRLFAOUWKMG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.39
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide (PubChem CID 78800736) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
PubChem CID78800736
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-12-5-10-15(20-12)16(19)18(4)11-13-6-8-14(9-7-13)17(2)3/h5-10H,11H2,1-4H3
InChIKeyDFFGRLFAOUWKMG-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 34730083
N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27861266
N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 106441483
2-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 75404810

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide (CID 78800736) is N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is DFFGRLFAOUWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-5-10-15(20-12)16(19)18(4)11-13-6-8-14(9-7-13)17(2)3/h5-10H,11H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 78800736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).